2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine

C15H15F3N4O — CID 118484407

IUPAC2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cnc(C3CNCCO3)nc2)cc1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)10-1-3-11(4-2-10)22-12-7-20-14(21-8-12)13-9-19-5-6-23-13/h1-4,7-8,13,19,22H,5-6,9H2
InChIKeyHVJUTQLXHADUBJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.90
Rot. Bonds3

About 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine

2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine (PubChem CID 118484407) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
PubChem CID118484407
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cnc(C3CNCCO3)nc2)cc1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)10-1-3-11(4-2-10)22-12-7-20-14(21-8-12)13-9-19-5-6-23-13/h1-4,7-8,13,19,22H,5-6,9H2
InChIKeyHVJUTQLXHADUBJ-UHFFFAOYSA-N
XLogP2.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The IUPAC name of 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine (CID 118484407) is 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine.
What is the SMILES notation for 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The canonical SMILES for 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine is FC(F)(F)c1ccc(Nc2cnc(C3CNCCO3)nc2)cc1.
What is the InChIKey of 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The InChIKey is HVJUTQLXHADUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)10-1-3-11(4-2-10)22-12-7-20-14(21-8-12)13-9-19-5-6-23-13/h1-4,7-8,13,19,22H,5-6,9H2.
What are the key properties of 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine has a molecular weight of 324.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine is sourced from PubChem (CID 118484407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).